N-[3-(azepan-1-yl)propyl]-1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-(3-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C24H31N5O MolecularWeight: 405.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NCCCN3CCCCCC3)N4C=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NCCCN3CCCCCC3)N4C=CC=C4

InChI

InChI=1S/C24H31N5O/c1-20-10-8-11-21(18-20)29-24(28-16-6-7-17-28)22(19-26-29)23(30)25-12-9-15-27-13-4-2-3-5-14-27/h6-8,10-11,16-19H,2-5,9,12-15H2,1H3,(H,25,30)